SCHEMBL5731099

SCHEMBL5731099

CCc1nc(C2CCCC2)n2nc(-c3nccs3)[nH]c(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.51
PDE1A P54750 5/20 0.47
PDE1B Q01064 5/20 0.47
PDE1C Q14123 5/20 0.47
KMT2A Q03164 1/20 0.34
PDE10A Q9Y233 2/20 0.32
ADORA2A P29274 3/20 0.31
ADORA2B P29275 2/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA1 P30542 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5730633 0.89 PDE5A (0.43) PDE5APDE1APDE1BPDE1CPDE10A
SCHEMBL5730686 0.82 PDE5A (0.50) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL5730268 0.82 PDE5A (0.51) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL5730383 0.82 PDE5A (0.54) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL5731191 0.80 PDE5A (0.47) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL5731208 0.80 PDE5A (0.49) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL5730375 0.80 PDE5A (0.51) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL5730413 0.80 PDE5A (0.49) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL5729394 0.79 PDE5A (0.49) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL5730008 0.79 PDE5A (0.51) PDE5APDE1APDE1BPDE1CKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060293326-A1 2-Heteroaryl-imidazotriazinones and their use in the treatment of inflammatory or immune diseases BAYER HEALTHCARE AG (DE) 2006-12-28 US disclosed
EP-1399439-B1 2-HETEROARYL-IMIDAZOTRIAZINONES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY OR IMMUNE DISEASES BAYER HEALTHCARE AG (DE) 2006-06-14 EP disclosed
EP-1399439-A1 2-HETEROARYL-IMIDAZOTRIAZINONES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY OR IMMUNE DISEASES Bayer HealthCare AG (DE) 2004-03-24 EP disclosed
WO-2002098873-A1 2-HETEROARYL-IMIDAZOTRIAZINONES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY OR IMMUNE DISEASES BAYER HEALTHCARE AG (DE) 2002-12-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060293326-A1 2-Heteroaryl-imidazotriazinones and their use in the treatment of inflammatory or immune diseases REL, AHR, SULT2A1 PDE5A 3518/4885PDE1A 4223/4885PDE1B 4080/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.